2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide

C16H22N4O3S — CID 97344920

IUPAC2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1
InChIInChI=1S/C16H22N4O3S/c1-11(2)16-18-17-15-9-8-12(10-20(15)16)19-24(21,22)14-7-5-4-6-13(14)23-3/h4-7,11-12,19H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyUVGSZHBWPSXQHS-GFCCVEGCSA-N
MW350.44 g/mol
LogP1.70
Rot. Bonds5

About 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide

2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide (PubChem CID 97344920) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide
PubChem CID97344920
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1
InChIInChI=1S/C16H22N4O3S/c1-11(2)16-18-17-15-9-8-12(10-20(15)16)19-24(21,22)14-7-5-4-6-13(14)23-3/h4-7,11-12,19H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyUVGSZHBWPSXQHS-GFCCVEGCSA-N
XLogP1.70
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
5-fluoro-2-methoxy-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzenesulfonamide
CID 91922580
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
(E)-3-(2,4-dimethoxyphenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
CID 75480223
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
CID 60639230
5-chloro-2-methoxy-N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzenesulfonamide
CID 91910841
5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide
CID 97315987
4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
3-[(1R)-1-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]ethyl]phenol
CID 124627975
N-(5-azaspiro[3.5]nonan-8-yl)-2-methoxybenzenesulfonamide
CID 43597956
1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
CID 75468562

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide (CID 97344920) is 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1.
What is the InChIKey of 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide?
The InChIKey is UVGSZHBWPSXQHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11(2)16-18-17-15-9-8-12(10-20(15)16)19-24(21,22)14-7-5-4-6-13(14)23-3/h4-7,11-12,19H,8-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide?
2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide is sourced from PubChem (CID 97344920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).